SCHEMBL4736822

SCHEMBL4736822

Cc1ccc(F)c(S(=O)(=O)N2CCCC(CC(=O)NN3CCOCC3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
BRD4 O60885 1/20 0.41
BRD3 Q15059 1/20 0.41
TSHR P16473 2/20 0.41
CYP19A1 P11511 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4741089 0.91 LMNA (0.44) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4808038 0.86 MAPT (0.48) L3MBTL1ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4786641 0.85 L3MBTL1 (0.49) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4787027 0.85 CYP19A1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4785243 0.85 TP53 (0.48) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4738940 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4738269 0.85 CYP3A4 (0.47) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4738285 0.83 CYP19A1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4740138 0.82 L3MBTL1 (0.46) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4739848 0.82 NPC1 (0.46) L3MBTL1ALDH1A1KMT2AKDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO claimed
WO-2008087654-A2 PIPERIDINES AS INHIBITORS OF 11β-HYDROXYSTEROID DEHYDROGENASE TYPE 1 CADILA HEALTHCARE LIMITED (IN) 2008-07-24 WO disclosed